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280070

3,5-Heptanedione

Name: 3,5-Heptanedione
Brand: ALDRICH

97%

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About This Item

Linear Formula:

H₃CCH₂COCH₂COCH₂CH₃

CAS Number:

7424-54-6

Molecular Weight:

128.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24856926

EC Number:

231-054-5

Beilstein/REAXYS Number:

635979

MDL number:

MFCD00015186

Assay:

97%

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Properties

Quality Level

100

assay

97%

refractive index

n20/D 1.456 (lit.)

bp

175-177 °C/754 mmHg (lit.)

density

0.946 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CCC(=O)CC(=O)CC

InChI

1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3

InChI key

DGCTVLNZTFDPDJ-UHFFFAOYSA-N

Description

Application

3,5-Heptanedione has been used in:

preparation of 3,5-diethylpyrazole hydrochloride
enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis

pictograms

GHS02

signalword

Warning

hcodes

H226

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

135.0 °F - closed cup

flash_point_c

57.2 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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THE ANTIDIABETIC ACTIVITY OF 3,5-DIMETHYLPYRAZOLES.

J B WRIGHT et al.

Journal of medicinal chemistry, 7, 102-105 (1964-01-01)

Scope and mechanism of enantioselective Michael additions of 1,3-dicarbonyl compounds to nitroalkenes catalyzed by nickel(II)-diamine complexes.

David A Evans et al.

Journal of the American Chemical Society, 129(37), 11583-11592 (2007-08-28)

Readily prepared Ni(II)-bis[(R,R)-N,N'-dibenzylcyclohexane-1,2-diamine]Br(2) was shown to catalyze the Michael addition of 1,3-dicarbonyl compounds to nitroalkenes at room temperature in good yields with high enantioselectivities. The two diamine ligands in this system each play a distinct role: one serves as a

Global Trade Item Number

SKU	GTIN
280070-25G-A	04061836683771
280070-5G-A	04061836683788